2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C34H71NO9 — CID 11578221

IUPAC2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCCOC(CCN(CC)CC)COCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C34H71NO9/c1-4-7-8-9-10-11-12-13-14-15-19-44-34(16-17-35(5-2)6-3)33-43-32-31-42-30-29-41-28-27-40-26-25-39-24-23-38-22-21-37-20-18-36/h34,36H,4-33H2,1-3H3
InChIKeyWTOSMDIPYLKGLF-UHFFFAOYSA-N
MW637.94 g/mol
LogP5.13
Rot. Bonds39

About 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 11578221) has the molecular formula C34H71NO9 and a molecular weight of 637.94 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID11578221
Molecular FormulaC34H71NO9
Molecular Weight637.94 g/mol
Exact Mass637.51
IUPAC Name2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCCOC(CCN(CC)CC)COCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C34H71NO9/c1-4-7-8-9-10-11-12-13-14-15-19-44-34(16-17-35(5-2)6-3)33-43-32-31-42-30-29-41-28-27-40-26-25-39-24-23-38-22-21-37-20-18-36/h34,36H,4-33H2,1-3H3
InChIKeyWTOSMDIPYLKGLF-UHFFFAOYSA-N
XLogP5.13
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.94
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Related Compounds

2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11505020
2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 176739700
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
N,N-diethylethanamine;2,3-dihexadecoxypropan-1-ol
CID 172690402
2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethanol
CID 175432010
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
2-(1,3-dioctoxypropan-2-yloxy)ethanol
CID 132520295
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
1-(2-dodecoxydecoxy)dodecane
CID 175347971
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 11578221) is 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCOC(CCN(CC)CC)COCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WTOSMDIPYLKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71NO9/c1-4-7-8-9-10-11-12-13-14-15-19-44-34(16-17-35(5-2)6-3)33-43-32-31-42-30-29-41-28-27-40-26-25-39-24-23-38-22-21-37-20-18-36/h34,36H,4-33H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 637.94 g/mol, XLogP of 5.13, 39 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 11578221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).